N'-[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide

Systemtic Name: N'-[6-(1-methoxypropan-2-ylamino)-5-nitro-pyrimidin-4-yl]-2-phenoxy-ethanehydrazide Openeye Name: N'-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide CAS Name: N'-[6-(1-methoxypropan-2-ylamino)-5-nitro-4-pyrimidinyl]-2-phenoxyacetohydrazide IUPAC Name: N'-[6-(1-methoxypropan-2-ylamino)-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide Traditional Name: N'-[6-[(2-methoxy-1-methyl-ethyl)amino]-5-nitro-pyrimidin-4-yl]-2-phenoxy-acetohydrazide Formula: C16H20N6O5 MolecularWeight: 376.3672

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=C(C(=NC=N1)NNC(=O)COC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC1=C(C(=NC=N1)NNC(=O)COC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O5/c1-11(8-26-2)19-15-14(22(24)25)16(18-10-17-15)21-20-13(23)9-27-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)(H2,17,18,19,21)